N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride

C20H24ClN3OS — CID 162310803

IUPACN-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCc2cccc(C3(C)CCSC(N)=N3)c2)cc1.Cl
InChIInChI=1S/C20H23N3OS.ClH/c1-14-6-8-16(9-7-14)18(24)22-13-15-4-3-5-17(12-15)20(2)10-11-25-19(21)23-20;/h3-9,12H,10-11,13H2,1-2H3,(H2,21,23)(H,22,24);1H
InChIKeyGCBYNGVNYNDSIS-UHFFFAOYSA-N
MW389.95 g/mol
LogP4.01
Rot. Bonds4

About N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride

N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride (PubChem CID 162310803) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride
PubChem CID162310803
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC NameN-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NCc2cccc(C3(C)CCSC(N)=N3)c2)cc1.Cl
InChIInChI=1S/C20H23N3OS.ClH/c1-14-6-8-16(9-7-14)18(24)22-13-15-4-3-5-17(12-15)20(2)10-11-25-19(21)23-20;/h3-9,12H,10-11,13H2,1-2H3,(H2,21,23)(H,22,24);1H
InChIKeyGCBYNGVNYNDSIS-UHFFFAOYSA-N
XLogP4.01
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride with MolForge

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Related Compounds

N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methoxybenzamide;hydrochloride
CID 162337924
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone
CID 161160531
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-1-(5-pent-3-ynoxypyrazin-2-yl)ethanone
CID 159565432
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-1-[5-[(E)-but-2-enoxy]-2-pyridinyl]ethanone
CID 160511848
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
N-[3-[[(4-acetamidobenzoyl)amino]methyl]phenyl]-4-methylbenzamide
CID 60535740
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-(propan-2-ylideneamino)oxypyrazine-2-carboxamide
CID 59250305
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
3-[[[(2S)-2-aminopropanoyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119289031

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride?
The IUPAC name of N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride (CID 162310803) is N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NCc2cccc(C3(C)CCSC(N)=N3)c2)cc1.Cl.
What is the InChIKey of N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride?
The InChIKey is GCBYNGVNYNDSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS.ClH/c1-14-6-8-16(9-7-14)18(24)22-13-15-4-3-5-17(12-15)20(2)10-11-25-19(21)23-20;/h3-9,12H,10-11,13H2,1-2H3,(H2,21,23)(H,22,24);1H.
What are the key properties of N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride?
N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 162310803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).